ACCELERATED MOLECULAR DYNAMICS METHODS
The evolution of radiation damage in materials is a classic example of a problem that spans many time and length scales. The initial production of damage occurs on the atomic scale via collision cascades that take place on the picosecond time scale. However, this damage ultimately manifests itself macroscopically in the form of swelling or cracking which can take years to develop. There is a wide range of phenomena that bridge these two extremes, including defect diffusion, annihilation and aggregation, the formation of interstitial loops and voids, and the development of more complex microstructure. As a result, no one simulation method can be employed to study the problem of radiation damage on all relevant time and length scales. Rather, a combination of many techniques must be used to address this problem.
KeywordsSaddle Point Molecular Dynamics Method Transition State Theory Escape Time Kinetic Monte Carlo
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